Pretilachlor - analytical standard, ≥97.5% , CAS No.51218-49-6

CAS: 51218-49-6 Cat. No.: P109905 Formula: C₁₇H₂₆ClNO₂ Peso molecolare: 311.85 Beilstein Registry Number: 2754162 Numero EC: 610-630-3

GRADE & PURITY Analytical standard, ≥97.5%

Synonyms

Solnet | A828488 | 2-chloro-2',6'-diethyl-N-(2-n-propoxyethyl)-acetanilide | CGA 26423 | Rifit | AKOS015889913 | BRN 2754162 | Pretilachlor, PESTANAL(R), analytical standard | CHEBI:34931 | UNII-617K7LM10D | DTXSID8058112 | BS-44191 | GSUDZUNGTZIKPY-UHFFF

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinonimi

Solnet | A828488 | 2-chloro-2',6'-diethyl-N-(2-n-propoxyethyl)-acetanilide | CGA 26423 | Rifit | AKOS015889913 | BRN 2754162 | Pretilachlor, PESTANAL(R), analytical standard | CHEBI:34931 | UNII-617K7LM10D | DTXSID8058112 | BS-44191 | GSUDZUNGTZIKPY-UHFFF

Specifiche e purezza

analytical standard, ≥97.5%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normal

Grado

Standard analitico

Purezza

≥97.5%

Nomi e identificatori

• Sorrisi canonici: CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
• IUPAC Name: 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
• InChIKey: YLPGTOIOYRQOHV-UHFFFAOYSA-N
• INCHI: 1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
• Isomeri SMILES: CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
• WGK Germania: 2
• RTECS: AB5427000
• Numero UN: 3082
• Peso molecolare: 311.85
• Beilstein: 2754162
• Reaxy-Rn: 2754162
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2754162&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Tertiary carboxylic acid amides Chloroacetamides Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Chloroacetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl chloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Anilide herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive.
• Peso molecolare: 311.800 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 311.165 Da
• Monoisotopic Mass: 311.165 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 287.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Lei Jiang, Lin Yuan, Shan Gao, Yingying Xiang, Fei Song, Wensi Ma, Jing Wan, Xiuling Ji, Yujiao Tu.  (2023)  Facile hydrothermal synthesis of N-doped fluorescent carbon dots for selective detection of insecticide parathion.  Analytical Methods,  15  (19): (2376-2381).  [PMID:37132329] [10.1039/D3AY00124E]

2. Yujie Zhang, Yunlong Huang, Ling Fu, Jiaoyan Qiu, Zhuqing Wang, Aiguo Wu.  (2020)  Colorimetric detection of paraquat in aqueous and fruit juice samples based on functionalized gold nanoparticles.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2020.103574]

3. Li’na Qiao, Sihua Qian, Yuhui Wang, Hengwei Lin.  (2018)  A colorimetric sensor array based on sulfuric acid assisted KMnO4 fading for the detection and identification of pesticides.  TALANTA,      [PMID:29426516] [10.1016/j.talanta.2018.01.029]

4. Jing-yan Kang, Yu-jie Zhang, Xing Li, Chen Dong, Hong-yu Liu, Li-jing Miao, Paul J. Low, Zhi-xian Gao, Narayan S. Hosmane, Ai-guo Wu.  (2017)  Rapid and sensitive colorimetric sensing of the insecticide pymetrozine using melamine-modified gold nanoparticles.  Analytical Methods,  10  (4): (417-421).  [PMID:] [10.1039/C7AY02658G]

5. Sihua Qian, Hengwei Lin.  (2015)  Colorimetric Sensor Array for Detection and Identification of Organophosphorus and Carbamate Pesticides.  ANALYTICAL CHEMISTRY,      [PMID:25913282] [10.1021/acs.analchem.5b00738]

6. Yifei Sun, Yan Tang, Zetao Chen, Miaoxiu Ge, Wei Xiong, Luhong Wen.  (2024)  A Facile Determination of Herbicide Residues and Its Application in On-Site Analysis.  Foods,  13  (8): (1280).  [PMID:38672952] [10.3390/foods13081280]

7. Xiu Liu, Xing Tang, Hongjun Chen, Xiang Wu, Zitong Fu, Mingyu Peng, Chenzhong Jin, Jun Guo.  (2025)  A Fenclorim Molecularly Imprinted Electrochemical Sensor Based on a Polycatechol/Ti3C2Tx Composite.  SENSORS,  25  (18): (5838).  [PMID:41013071] [10.3390/s25185838]

8. Xinyue Huang, Lei Jiang, Lin Yuan, Wensi Ma, Xintao Cui, Jiaxuan Liu, Xiuling Ji, YujiaoTu.  (2025)  Orange ratiometric fluorescent probe for sensitive detection of phoxim.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:40795714] [10.1016/j.saa.2025.126785]

9. Bu Ziyun, Si Qiankang, Lu Xiaolin, Wang Pei, Wu Dezhen, Mei Yingying.  (2025)  Monolithic capillary electrochromatographic system based on gold nanoparticles and chitosan chiral molecularly imprinted polymers for enantioseparation of metolachlor and separation of structural analogs.  MICROCHIMICA ACTA,  192  (5): (1-14).  [PMID:40205242] [10.1007/s00604-025-07142-9]

10. Qianxue Shao, Yongming Ruan, Ru Liang, Ruixin Jin, Zhixi Jin, Lin Xie, Yongqing Chi, Jiaojiao Xia, Pingyang Zhu.  (2025)  Toxicity and Safety Assessment of Key Pesticides Used in Rice Fields on Rice Flower Carp (Procypris merus).  Fishes,  10  (6): (248).  [PMID:] [10.3390/fishes10060248]

11. Yong-mei Zhang, Ping-ping Fan, Ling-zhi Zhang, Wei Yu, Song Xia, Fa-li Liu, Xue-de Li.  (2026)  Occurrence, ecological risk, and human health assessment of herbicide residues in Chaohu Lake, China.  Journal of Environmental Chemical Engineering,  14  (2): (121850).  [PMID:] [10.1016/j.jece.2026.121850]

12. Ru Liang, Qianxue Shao, Yongming Ruan, Min Wang, Jiarong Cui, Jiaojiao Xia, Yanfei Zhu, Ziyao Liu, Zengpei Lin, Hongxing Xu, Zhongxian Lu, Pingyang Zhu.  (2026)  Toxicological impacts of paddy field pesticides on red claw crayfish (Cherax quadricarinatus) and implications for integrated rice-crayfish farming.  Aquaculture Reports,      [PMID:] [10.1016/j.aqrep.2026.103532]